Compound Identification
SMILES
CCOP(=O)(CO[C@@H]1C[C@@H](C=C1)N1C=C(C2=CC=CS2)C(OC)=NC1=O)OCC
InChIKey
InChIKey=LQKGYWFHMGPXFF-CABCVRRESA-N
Formula
C19H25N2O6PS
Mass
440.45
Taxonomic Classification
Taxonomy Tree
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Subclass
Phosphonated cyclopentyl nucleosides
Intermediate Tree Nodes
1,3-substituted phosphonated cyclopentyl nucleosides
Direct Parent
1,3-substituted phosphonated cyclopentyl pyrimidine nucleosides
Alternative Parents
Pyrimidones Dialkyl alkylphosphonates Alkyl aryl ethers Phosphonic acid esters Hydropyrimidines Thiophenes Heteroaromatic compounds Azacyclic compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,3-substituted phosphonated cyclopentyl pyrimidine nucleoside - Alkyl aryl ether - Dialkyl alkylphosphonate - Pyrimidone - Phosphonic acid diester - Hydropyrimidine - Phosphonic acid ester - Pyrimidine - Organophosphonic acid derivative - Heteroaromatic compound - Thiophene - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-substituted phosphonated cyclopentyl pyrimidine nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a phosphonate group, and at the 3-position with either a pyrimidine base.
External Descriptors
Not available